Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.39 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9168636 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL22830852 | 0.76 | AKR1C3 (0.43) | SLC18A3 | |
| SCHEMBL22492144 | 0.76 | AKR1C3 (0.43) | SLC18A3 | |
| SCHEMBL29599708 | 0.76 | AKR1C3 (0.43) | SLC18A3 | |
| SCHEMBL22830919 | 0.76 | AKR1C3 (0.43) | SLC18A3 | |
| SCHEMBL11483100 | 0.73 | SLC18A3 (0.46) | SLC18A3 | |
| SCHEMBL9170915 | 0.72 | TP53 (0.48) | SLC18A3PTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL9170247 | 0.71 | MCL1 (0.44) | SLC18A3PTGS1PTGS2 | |
| SCHEMBL8391240 | 0.69 | SLC18A3 (0.45) | SLC18A3 | |
| SCHEMBL4634148 | 0.69 | LMNA (0.44) | PTGS1PTGS2MT-CO1MT-CO2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387595-A | Antiinflammatory agents | MERCK & CO., INC. (US) | 1995-02-07 | — | — | US | disclosed |
| WO-1994004487-A1 | ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-03-03 | — | — | WO | disclosed |